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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for UniProtKB: P00735   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin


(Bos taurus (Bovine))
BDBM50391540
PNG
(CHEMBL2147469)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#6]-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
Show InChI InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22-,25+,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using Bz-Phe-Val-Arg-pNA as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluori...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM50391541
PNG
(CHEMBL2147467)
Show SMILES C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N(C)[C@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20-,25+,26+,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.90E+3n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using Bz-Phe-Val-Arg-pNA as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluori...


J Nat Prod 75: 1546-52 (2012)


Article DOI: 10.1021/np300282a
More data for this
Ligand-Target Pair